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Theoretical investigations of the impurity axial displacement for ZnO:V3+
Zhang, Zhi-Hong1; Wu, Shao-Yi2; Zhang, Hua-Ming1
Corresponding AuthorZhang, Zhi-Hong(zhi_hongzhang@yahoo.cn)
2011-05-01
Source PublicationJOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
ISSN0734-2101
Volume29Issue:3Pages:6
AbstractThe local structure of the V3+ center in ZnO crystal is theoretically investigated using the perturbation formulas of the spin Hamiltonian parameters for a 3d(2) ion in trigonally distorted tetrahedra. From the studies, the impurity V3+ is found not to occupy the ideal Zn2+ site in ZnO but to suffer an outward displacement of about 0.08 angstrom away from the oxygen triangle along the C-3 axis. The calculated spin Hamiltonian parameters based on the above impurity displacement show good agreement with the experimental data. The outward displacement of the impurity V3+ in ZnO can be attributed to the local tension due to the size and charge mismatching substitution of the host Zn2+ by the larger and higher charged V3+. The studies of this work would be helpful to the investigations of the structure properties of ZnO (or other similar II-VI semiconductors) doped with transition-metal ions. (C) 2011 American Vacuum Society. [DOI: 10.1116/1.3573978]
Funding OrganizationUESTC
DOI10.1116/1.3573978
Indexed BySCI
Language英语
Funding ProjectUESTC
WOS Research AreaMaterials Science ; Physics
WOS SubjectMaterials Science, Coatings & Films ; Physics, Applied
WOS IDWOS:000289689000041
PublisherA V S AMER INST PHYSICS
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/106706
Collection中国科学院金属研究所
Corresponding AuthorZhang, Zhi-Hong
Affiliation1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China
2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Zhi-Hong,Wu, Shao-Yi,Zhang, Hua-Ming. Theoretical investigations of the impurity axial displacement for ZnO:V3+[J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A,2011,29(3):6.
APA Zhang, Zhi-Hong,Wu, Shao-Yi,&Zhang, Hua-Ming.(2011).Theoretical investigations of the impurity axial displacement for ZnO:V3+.JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A,29(3),6.
MLA Zhang, Zhi-Hong,et al."Theoretical investigations of the impurity axial displacement for ZnO:V3+".JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 29.3(2011):6.
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